Pharmacophore modeling studies on known mmp-9 enzyme inhibitors to identify the important common features

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dc.contributor.authorBolelli, Tuğba Ertan
dc.contributor.authorBolelli, Kayhan
dc.contributor.authorIDhttps://orcid.org/0000-0001-9740-7023tr_TR
dc.contributor.authorIDhttps://orcid.org/0000-0002-2179-997Xtr_TR
dc.contributor.departmentEczacılık Fakültesitr_TR
dc.date.accessioned2020-04-25T11:21:57Z
dc.date.available2020-04-25T11:21:57Z
dc.date.issued2020
dc.description.abstractObjective: In this study, pharmacophore models were generated to explain the structure–activity relationships by using the known MMP-9 inhibitors. Material and Method: Pharmacophore models were generated to explain the specification of the structure– activity relationships of common pharmacophoric sites of the known MMP-9 inhibitors. For this study Discovery Studio 3.5 software was used. A set of known MMP-9 inhibitors (NFH, Batimastat, Marimastat, Prinomastat, CGS-27023A, and Ro32-3555) were used for common feature pharmacophore generation method. Selected hypothesis included two hydrogen bond acceptor, one hydrogen bond donor, and one hydrophobic feature. Result and Discussion: All of the tested inhibitors except CGS-27023A and Ro32-3555 fitted the selected pharmacophore model perfectly. These two inhibitors did not fit the A2 feature. It can be concluded that A1, D1, and H1 features at the given positions could be necessary for the activity. Additionally, we compared the pharmacophore model with NFH and MMP-9 enzyme complex to identify the important interactions. At the given positions of all of the pharmacophoric features, there is an interaction with the protein. This is also supported our pharmacophore hypothesis. As a result, this pharmacophore model could be useful to design new small molecule inhibitors of MMP-9 enzymetr_TR
dc.identifier.endpage210tr_TR
dc.identifier.issn/e-issn1015-3918
dc.identifier.issue02tr_TR
dc.identifier.startpage204tr_TR
dc.identifier.urihttps://doi.org/10.33483/jfpau.690373tr_TR
dc.identifier.urihttp://hdl.handle.net/20.500.12575/71153
dc.identifier.volume44tr_TR
dc.language.isoentr_TR
dc.publisherAnkara Üniversitesitr_TR
dc.relation.isversionof10.33483/jfpau.690373tr_TR
dc.relation.journalAnkara Üniversitesi Eczacılık Fakültesi Dergisitr_TR
dc.relation.publicationcategoryMakale - Ulusal Hakemli Dergi - Kurum Öğretim Elemanıtr_TR
dc.subjectCancertr_TR
dc.subjectİnflammatory diseasestr_TR
dc.subjectPharmacophore modelingtr_TR
dc.subjectEnflamatuar hastalıklartr_TR
dc.subjectFarmakofor modellemetr_TR
dc.subjectKansertr_TR
dc.titlePharmacophore modeling studies on known mmp-9 enzyme inhibitors to identify the important common featurestr_TR
dc.title.alternativeÖnemli ortak özellikleri tanımlamak amacıyla, bilinen mmp-9 enzim inhibitörleri üzerinde yapılan farmakofor modelleme çalışmalarıtr_TR
dc.typeArticletr_TR

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Cilt:44 Sayı:02 (2020)